2PF1

STRUCTURE OF BOVINE PROTHROMBIN FRAGMENT 1 REFINED AT 2.25 ANGSTROMS RESOLUTION


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
3.5665.43

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 77.62α = 90
b = 77.62β = 90
c = 85.21γ = 90
Symmetry
Space GroupP 43 21 2

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.850.175
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor20
p_staggered_tor15
p_planar_tor3
p_mcangle_it1.5
p_scangle_it1.5
p_mcbond_it1
p_scbond_it1
p_singtor_nbd0.5
p_multtor_nbd0.5
p_xhyhbond_nbd0.5
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor20
p_staggered_tor15
p_planar_tor3
p_mcangle_it1.5
p_scangle_it1.5
p_mcbond_it1
p_scbond_it1
p_singtor_nbd0.5
p_multtor_nbd0.5
p_xhyhbond_nbd0.5
p_chiral_restr0.15
p_planar_d0.05
p_angle_d0.04
p_bond_d0.02
p_plane_restr0.02
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms947
Nucleic Acid Atoms
Solvent Atoms164
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement